SCHEMBL31370383

SCHEMBL31370383

CN[C@@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ PDE4A P27815 1/20 0.40
▸ USP2 O75604 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ MMP2 P08253 5/20 0.36
▸ MMP9 P14780 5/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ MMP12 P39900 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.31
▸ NAALAD2 Q9Y3Q0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26533468 0.88 KDM4E (0.43) KDM4EPDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL27315841 0.88 KDM4E (0.43) KDM4EPDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL25950269 0.88 KDM4E (0.43) KDM4EPDE4AUSP2SLCO1B1SMN1; SMN2
SCHEMBL27068616 0.87 KDM4E (0.34) KDM4EPDE4AUSP2SLCO1B1MMP2
SCHEMBL27068785 0.87 GPBAR1 (0.34) KDM4EMMP2MMP9MMP8MMP12
SCHEMBL27448156 0.86 KDM4E (0.41) KDM4EPDE4AMMP2MMP9MMP8
SCHEMBL27443608 0.86 KDM4E (0.41) KDM4EPDE4AMMP2MMP9MMP8
SCHEMBL27104564 0.85 KDM4E (0.37) KDM4EPDE4AUSP2SLCO1B1MMP2
Meglumine SCHEMBL371153 0.80 KDM4E (0.53) KDM4EPDE4AUSP2SLCO1B1MMP2
Meglumine SCHEMBL11777 0.80 KDM4E (0.53) KDM4EPDE4AUSP2SLCO1B1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KDM4E 3586/4885PDE4A 4598/4885USP2 2754/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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